Geometry & MOs

Info

ID:	260252
PubChem CID:	103186587
Reduced:	FO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	314.976835
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	1.0
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-5-methoxycarbonyl-1,3-thiazol-2-yl)-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3O2)F

DOS

IR

Vibrations